IRIS
LOMBARDO, Giuseppe Marcello
 Distribuzione geografica
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Continente #
NA - Nord America 3.295
AS - Asia 1.291
EU - Europa 1.151
SA - Sud America 269
AF - Africa 146
OC - Oceania 7
Continente sconosciuto - Info sul continente non disponibili 1
Totale 6.160
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Nazione #
US - Stati Uniti d'America 3.174
SG - Singapore 545
CN - Cina 509
UA - Ucraina 286
IE - Irlanda 269
BR - Brasile 242
IT - Italia 202
CA - Canada 110
VN - Vietnam 110
CI - Costa d'Avorio 98
RU - Federazione Russa 87
DE - Germania 83
SE - Svezia 65
FI - Finlandia 46
KR - Corea 29
FR - Francia 28
GB - Regno Unito 26
SN - Senegal 26
HK - Hong Kong 17
IN - India 14
TR - Turchia 13
ID - Indonesia 10
PL - Polonia 9
ZA - Sudafrica 9
AR - Argentina 8
AT - Austria 8
BD - Bangladesh 8
MX - Messico 8
NL - Olanda 8
AU - Australia 7
CH - Svizzera 7
EC - Ecuador 7
GR - Grecia 7
JP - Giappone 7
LB - Libano 7
UZ - Uzbekistan 7
CZ - Repubblica Ceca 5
KE - Kenya 5
CO - Colombia 4
ES - Italia 4
LT - Lituania 3
MA - Marocco 3
NP - Nepal 3
TN - Tunisia 3
AZ - Azerbaigian 2
CL - Cile 2
EE - Estonia 2
IQ - Iraq 2
JO - Giordania 2
KZ - Kazakistan 2
PY - Paraguay 2
UY - Uruguay 2
VE - Venezuela 2
BA - Bosnia-Erzegovina 1
BW - Botswana 1
DO - Repubblica Dominicana 1
EG - Egitto 1
EU - Europa 1
GE - Georgia 1
KW - Kuwait 1
NO - Norvegia 1
PK - Pakistan 1
PS - Palestinian Territory 1
PT - Portogallo 1
RO - Romania 1
RS - Serbia 1
SI - Slovenia 1
SV - El Salvador 1
TT - Trinidad e Tobago 1
Totale 6.160
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Città #
Dallas 549
Santa Clara 540
Singapore 373
Chandler 358
Jacksonville 352
Dublin 269
Chicago 232
Boardman 130
Catania 109
Hefei 99
Abidjan 98
Dong Ket 84
Nanjing 81
Beijing 80
Toronto 78
Lawrence 76
Andover 75
Ashburn 75
Cambridge 75
Des Moines 43
Helsinki 41
San Mateo 41
Bremen 38
Nanchang 38
Council Bluffs 34
Seoul 29
Wilmington 28
Shenyang 27
Dakar 26
Civitanova Marche 24
São Paulo 22
Columbus 20
Grafing 19
Hebei 19
Los Angeles 18
Ottawa 18
Hong Kong 17
The Dalles 17
New York 16
San Francisco 16
Saint Petersburg 14
Changsha 13
Tianjin 12
Jinan 10
Montreal 10
Belo Horizonte 9
Hangzhou 8
Ho Chi Minh City 8
Moscow 8
Guangzhou 7
Nuremberg 7
Fortaleza 6
Liberty Lake 6
Phoenix 6
Rio de Janeiro 6
Tokyo 6
Brasília 5
Jakarta 5
Jiaxing 5
Johannesburg 5
Mexico City 5
Munich 5
Seattle 5
Taizhou 5
Warsaw 5
Zhengzhou 5
Atlanta 4
Falls Church 4
Guayaquil 4
Hanoi 4
Kunming 4
Melbourne 4
Messina 4
Nairobi 4
Naples 4
Salvador 4
Tashkent 4
Washington 4
Ankara 3
Brooklyn 3
Cape Town 3
Den Haag 3
Guarulhos 3
Houston 3
London 3
Mascalucia 3
Milan 3
Misterbianco 3
Norwalk 3
Porto Alegre 3
Pune 3
Quito 3
Ribeirão das Neves 3
Rome 3
Santo André 3
Stockholm 3
Tappahannock 3
Adapazarı 2
Amman 2
Amsterdam 2
Totale 4.581
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Nome #
1. High-field NMR spectroscopic techniques combined with molecular dynamics simulations for the study of the inclusion complexes of alpha- and beta-cyclodextrins with the cognition activator 3-phenoxypyridine sulfate (CI-844) 139
1. Force field parameters and molecular mechanics, molecular dynamics and quantum mechanical ab initio studies of 2,2,4,4,6,6-hexakis-(p-phenoxy-phenoxy-2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5-triene 131
An integrated X-ray and molecular dynamics study of uranyl-salen structures and properties 119
1/Z expansion, correlation energy, and shannon entropy of heavy atoms in nonrelativistic limit 115
Bond-order, stretched chemical bonds and electron correlation 109
Bond-order correlation energies for small Si-containing molecules compared with ab initio results from low-order Møller–Plesset perturbation theory 103
CORRELATION-ENERGY OF DIATOMIC-MOLECULES VERSUS NUMBER OF ELECTRONS 100
Bond-Order Correlation Energy: a simple approach to obtain molecular dissociation energies and molecular heats of formation 99
X-Ray crystallographic and computational study on uranyl–salophen complexes bearing nitro groups 97
From molecules and clusters of atoms to solid state properties 97
Experimental and in silico characterization of a biologically active inosose 97
Capture rate and efficiency of an oscillating non-ideal trap interacting with a sea of random diffusing particles. A non-equilibrium Fokker–Planck picture 97
Relation between molecular and atomic correlation energies via overlap population 96
Molecular dynamics-modified-neglect-of-diatomic-overlap study of the thermal isomerization mechanism from cis to trans form in polyacetylene 96
Equilibrium geometries of low-lying isomers of some Li clusters, within Hartree-Fock theory plus bond order or MP2 correlation corrections 96
Equilibrium molecular energies used to obtain molecular dissociation energies and heats of formation within the bond-order correlation approach 95
Interfacial diffusion controlled reactions with time varying absorbing domains 93
Molecular dynamics simulations of polyphosphazenes: Poly[bis(chloro)phosphazene][NPCl2](n) 91
Correlation energies in polyatomic molecules modelled in terms of bond order 91
Modeling vacancies and hydrogen impurities in graphene: A molecular point of view 90
Electron transport properties of calix[4]arene based systems in a metal-molecule-metal junction 89
Scaling properties of correlation energies of homonuclear diatoms 89
ADPs simulations as an additional source of fine structural information 89
High field NMR techniques, molecular modelling and molecular dynamics simulations in the study of the inclusion complex of the cognition activator (±)-1-(4-methoxybenzoyl)-5-oxo-2-pyrrolidinepropanoic acid (CI-933) with β-cyclodextrin 88
Derivation of MM2 force-field parameters for polychlorophosphazenes (NPCl2)n from ab initio data 87
False asymmetry, pseudosymmetry, disorder, polymorphism and atomic displacement parameters 87
A combined experimental and in silico characterization to highlight additional structural features and properties of a potentially new drug 87
Löwdin correlation energy density of the inhomogeneous electron liquid in some closed-shell molecules at equilibrium geometry 85
Structural, morphological, and modeling studies of N-(benzoyloxy)benzamide as a specific inhibitor of Type II inosine monophosphate dehydrogenase 84
Stretched chemical bonds in Si6H6: a transition from ring currents to localized pi-electrons? 84
Functional hybrid co-crystals of humic substances: a growth forecast 84
Thermal effects on mixed metal (Zn/Al) layered double hydroxides: Direct modeling of the X-ray powder diffraction line shape through molecular dynamics simulations 84
Fingerprints of antiaromaticity in the negative ion Li3Al4- with anab initio quantum chemical study of the equilibrium structure of the inhomogeneous electron liquid 83
Quantum-chemical modelling of the structural change of water due to its interaction with nanographene 83
Potassium caffeate/caffeic acid co-crystal: the rat race between the catecholic and carboxylic moieties in an atypical co-crystal 82
Anomalous sorption kinetics of self-interacting particles by a spherical trap 81
Correlation energies, molucular dissociation energies, and heats of formation within the Bond-Order correlation approach 80
Molecular Modeling and Large-Angle X-ray Scattering Studies of the Structure of Semicrystalline Poly[bis(phenoxy)phosphazene] 78
“Dissociation energies in polyatomic molecules and metal clusters” 78
Study of cis-trans isomerization of polyacetylene induced by doping 78
Simple Approaches to Calculate Correlation Energy in Polyatomic Molecular Systems 78
Quantum mechanical studies of organometallic materials containing the Se-Te bond 77
A novel integrated X-ray powder diffraction (XRPD) and molecular dynamics (MD) approach for modelling mixed-metal (Zn, Al) layered double hydroxides (LDHs) 76
A novel approach for direct modelling of the XRPD spectrum using MD simulation technique: application to the study of calcinated Layer Double Hydroxides 75
A novel Integrated X-ray powder diffraction (XRPD) and molecular dynamics (MD)approach for modelling mixed-metal (Zn, Al)Layer Double Hydroxides (LDHs) 74
Crystal structure and molecular mechanics, dynamics and quantum-mechanical ab initio studies of 2,2,4,4,6,6-hexakis(p-phenoxyphenoxy)-25,45,65-cyclotriphosphaza-1,3,5-triene 74
Derivation of force field parameters, and force field and quantum mechanical studies of layered alpha- and gamma-zirconium phosphates 73
STUDY OF MIXED METAL (Cu/Zn/Al) LAYERED DOUBLE HYDROXIDES (LDHs) BY INTEGRATED X-RAY POWDER DIFFRACTION - MOLECULAR DYNAMICS (XRPD-MD) TECHNIQUE 73
NMR spectroscopic evidence and molecular dynamics studies on inclusion and non-inclusion phenomena between beta-cyclodextrin and new anti-Alzheimer's drugs tacrine (CI-970), velnacrine (HP-029) and suronacrine (HP-128) 73
Modeling and Analysis of the X-ray Powder Diffraction Structure of gamma-Zirconium Phosphates Pillared with Butyl Chains through Molecular Dynamics Simulations 72
Discretization of unknown functions: A new method to solve partial differential equations with mixed boundary conditions 72
Mesomeric and pi-moments in some hetero-conjugated compounds 70
A top-down approach to crystal engineering of a racemic Δ2-isoxazoline 69
Molecular Dynamics (MD) Simulations and Large-Angle X-ray Scattering (LAXS) Studies of the Solid-State Structure and Assembly of Isotactic (R)-Poly(2,2-dioxy-1,1-binaphthyl-)phosphazene in the Bulk State and in the Cast Film 69
Derivation of force field parameters for 2,2,4,4,6,6-hexakis-(alkyloxy)- and -(aryloxy)-2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5-trienes 68
High Field NMR Techniques, Molecular Modelling and Molecular Dynamics Simulations in the Study of the Inclusion Complexes of the Cognition Activator (±)-1-(4-methoxy-benzoyl)-5-oxo-2-pyrrolidinepropanoic acid (CI-933) with β-Cyclodextrin 68
Self-organization by chiral recognition based on ad hoc chiral pockets in cyclotriphosphazenes with binaphthoxy and biphenoxy substituents: an X-ray, NMR and computational study 67
Stereochemistry in solution of spiro-2,2'-dioxybiphenyl-cyclotriphosphazenes: an NMR spectroscopic study combined with molecular dynamics simulations 66
Derivation of Force Field Parameters for 2,2,4,4,6,6,-Hexakis-(alkyloxy)- and -(aryloxy)- 2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5,-trienes 66
MOLECULAR DYNAMICS (MD) AND POWDER X-RAY DIFFRACTION (XRD) COMBINED STUDY OF THE SOLID-STATE STRUCTURE OF LOW CRYSTALLINE MIXED-METAL (Cu, Zn, Al) LAYERED DOUBLE HYDROXYDES (LDHs) 64
Self-Organization by Chiral Recognition Based on ad hoc Chiral Pockets in Cyclotriphosphazenes with Binaphthxy and Biphenoxy Substituents: An X-ray, NMR and Computational Study 64
Structural Features and Molecular Assembly of Amorphous Phosphazenic Materials in the Bulk - Combined Theoretical and Experimental Techniques: Tris-(2,2-dioxy-1,1-binaphthyl)cyclotriphosphazene 62
Electronic structure of clusters (LiBC)n: n=1, 2 and 4 60
Molecules in clusters: The case of planar LiBeBCNOF built from a triangular form LiOB and a linear four-center species FBeCN 60
Molecular Modeling of Interactions between L-Lysine and a Hydroxylated Quartz Surface 59
Wrapping and unwrapping an indicaxanthin molecule: A computational approach 59
The quantitative analysis of NOE in the rotatine frame: HR-NMR techniques combined with MD simulations in the case of the host-guest complexes with Cyclodextrins 58
Experimental and theoretical characterization of N-(diethylcarbamothioyl)benzamide triclinic polymorph 57
A Potentially Alternative Route to Predict Crystal Morphologies of Indicaxanthin Crystals 56
Tsallis q-exponentials as atomic orbitals in two-electron systems 56
Elucidation of the Chiral Recognition Mechanism of Cinchona Alkaloid Carbamate-type Receptors for 3,5-Dinitrobenzoyl Amino Acids 54
First Principle study of impurities in graphene: HF. DFT, and MP2 methods comparison 54
Novel Integrated X-ray Diffraction and Molecular Dynamics Approaches for Structure Analysis 52
Integrated X-ray Diffraction - Molecular Dynamics Study of Ternary (Cu/Zn/Al) Hydrotalcite-like Compounds containing two Different Interlayer Anions 52
From the X-rays to a reliable "low cost" computational structure of caffeic acid: DFT, MP2, HF and integrated molecular dynamics-X-ray diffraction approach to condensed phases RID A-4921-2011 52
Molecular Dynamics Simulations Combined with Large Angle X-ray Scattering Technique For the Determination of the Structure, Conformation, and Conformational Dynamics of Polyphosphazenes in Amorphous Phase: Study of Poly[di-(4-methylphenoxy)phosphazene] 52
Force field and quantum mechanical study of 3-aminopropyltriethoxy silane sorption on hydroxyl free yttria surface 51
Integrated XRPD-MD Study of Thermal Effects on Mixed Metal (Cu/Zn/Al) Layered Double Hydroxides (LDHs), Precursors for the OSRM Reaction Catalysts 51
THERMAL EFFECTS ON MIXED METAL (ZN/AL) LAYERED DOUBLE HYDROXIDES (LDHS): DIRECT MODELLING OF THE X-RAY POWDER DIFFRACTION (XRPD) LINE-SHAPE THROUGTH MOLECULAR DYNAMICS (MD) SIMULATIONS 50
Tecniche Spettroscopiche NMR ad Alto Campo e di Simulazione Dinamica Applicate allo Studio di Complessi di Inclusione con Ciclodestrine 44
Totale 6.258
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Categoria #
all - tutte 21.594
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 21.594
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021441 0 0 0 0 122 12 68 0 62 0 71 106
2021/2022622 72 76 3 23 106 3 80 13 60 0 8 178
2022/2023963 84 51 10 125 101 173 3 154 220 6 22 14
2023/2024462 31 46 13 32 13 90 0 25 1 91 72 48
2024/20251.835 35 423 85 50 433 198 98 81 80 134 98 120
2025/20261.145 191 141 613 191 9 0 0 0 0 0 0 0
Totale 6.258